(phenylmethyl) N-[(2S)-1-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[4-bromo-2-[oxo(2-pyridinyl)methyl]anilino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[4-bromo-2-(pyridine-2-carbonyl)anilino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(4-bromo-2-picolinoyl-anilino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20BrN3O4/c1-15(26-23(30)31-14-16-7-3-2-4-8-16)22(29)27-19-11-10-17(24)13-18(19)21(28)20-9-5-6-12-25-20/h2-13,15H,14H2,1H3,(H,26,30)(H,27,29)/t15-/m0/s1